SCHEMBL3368902

SCHEMBL3368902

Nc1ccc(CCc2cccc(F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.68
CYP19A1 P11511 1/20 0.68
MAOB P27338 10/20 0.59
MAOA P21397 4/20 0.59
GFER P55789 1/20 0.56
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9799321 0.92 TAAR1 (0.63) TAAR1CYP19A1MAOBMAOAIDO1
SCHEMBL28812860 0.86 TAAR1 (0.70) TAAR1CYP19A1MAOBIDO1AGXT
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1IDO1AGXT
SCHEMBL29442846 0.84 MAOB (0.59) TAAR1CYP19A1MAOBIDO1AGXT
SCHEMBL21384149 0.84 MAOB (0.59) TAAR1CYP19A1MAOBIDO1AGXT
SCHEMBL8591746 0.83 TAAR1 (0.65) TAAR1MAOBMAOAIDO1AGXT
SCHEMBL28036818 0.82 TAAR1 (0.60) TAAR1CYP19A1MAOBIDO1AGXT
SCHEMBL146545 0.81 TAAR1 (1.00) TAAR1MAOBIDO1AGXT
SCHEMBL29429505 0.81 TAAR1 (1.00) TAAR1MAOBIDO1AGXT
SCHEMBL13577059 0.81 TAAR1 (0.63) TAAR1CYP19A1MAOBIDO1AGXT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP disclosed
CN-100503562-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2009-06-24 CN disclosed
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
CN-100400509-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide IDING HANS 2006-06-08 US disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 US disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US disclosed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed
WO-2004026827-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 TAAR1 63/4885CYP19A1 176/4885MAOB 1/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 TAAR1 34/4885CYP19A1 215/4885MAOB 1/4885
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT TAAR1 798/4885CYP19A1 280/4885MAOB 1/4885
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide MAOA, MAOB, PNPO TAAR1 136/4885CYP19A1 291/4885MAOB 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.